Y040-8487 Screening compound: 3-(1H-indol-3-yl)-2-{2-[2-({6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl}oxy)acetamido]propanamido}propanoic acid

Y040-8487 Screening compound: 3-(1H-indol-3-yl)-2-{2-[2-({6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl}oxy)acetamido]propanamido}propanoic acid
Y040-8487 Screening compound: 3-(1H-indol-3-yl)-2-{2-[2-({6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl}oxy)acetamido]propanamido}propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-8487
3-(1H-indol-3-yl)-2-{2-[2-({6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl}oxy)acetamido]propanamido}propanoic acid

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

Y040-8487

Molecular Formula

C29H29N3O7 (C29 H29 N3 O7)

Compound Name

3-(1H-indol-3-yl)-2-{2-[2-({6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl}oxy)acetamido]propanamido}propanoic acid

IUPAC name

(2S)-3-(1H-indol-3-yl)-2-[(2S)-2-[2-({6-oxo-6H7H8H9H10H-cyclohexa[c]chromen-3-yl}oxy)acetamido]propanamido]propanoic acid

SMILES

C[C@@H](C(N[C@@H](Cc1c[nH]c2c1cccc2)C(O)=O)=O)NC(COc(cc1)cc(O2)c1C(CCCC1)=C1C2=O)=O

InChI

InChI=1S/C29H29N3O7/c1-16(27(34)32-24(28(35)36)12-17-14-30-23-9-5-4-6-19(17)23)31-26(33)15-38-18-10-11-21-20-7-2-3-8-22(20)29(37)39-25(21)13-18/h4-6,9-11,13-14,16,24,30H,2-3,7-8,12,15H2,1H3,(H,31,33)(H,32,34)(H,35,36)/t16-,24-/m0/s1

InChI Key

VIRHHEQMCQPPFZ-FYSMJZIKSA-N

MDL Number (MFCD)

MFCD10040730

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

531.57

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.299

Distribution Coefficient, logD

-1.334

Water Solubility, LogSw

-3.00

Polar Surface Area

114.537

Acid Dissociation Constant (pKa)

3.77

Base Dissociation Constant (pKb)

-0.63

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

31.00

Y040-8487 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with Y040-8487 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-8487?
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What is the minimum amount of Y040-8487 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-8487
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-8487
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of Y040-8487 available by request